5-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-1H-indole-2-carboxamide

Systemtic Name: 5-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-oxidanyl-1H-indole-2-carboxamide Openeye Name: 4-hydroxy-5-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1H-indole-2-carboxamide CAS Name: 4-hydroxy-5-methyl-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-1H-indole-2-carboxamide IUPAC Name: 4-hydroxy-5-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1H-indole-2-carboxamide Traditional Name: 4-hydroxy-5-methyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-1H-indole-2-carboxamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=C2)C(=O)NCCCN3C=C[N+](=C3)C)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=C2)C(=O)NCCCN3C=C[N+](=C3)C)O

InChI

InChI=1S/C17H20N4O2/c1-12-4-5-14-13(16(12)22)10-15(19-14)17(23)18-6-3-7-21-9-8-20(2)11-21/h4-5,8-11H,3,6-7H2,1-2H3,(H2-,18,19,22,23)/p+1